%chk=000049495.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049495

0 1
 O   0.2723000      0.9507000     -0.4026000    
 O   0.1201000      -3.792000     -0.7730000    
 O    4.073700      0.8500000       1.061900    
 N   -2.014300     -0.3681000     -0.3459000    
 C   -2.106900     -0.8030000       1.054900    
 C   -3.347400     -0.2353000     -0.9502000    
 C   -2.921700      0.1881000       1.887700    
 C   -4.202800      0.7741000     -0.1829000    
 C   -4.308200      0.4041000       1.292200    
 C   -1.193400      -1.300600      -1.118000    
 C   0.2001000      -1.402800     -0.5851000    
 C   0.9089000     -0.2534000     -0.2350000    
 C   0.7947000      -2.656400     -0.4374000    
 C    2.207600     -0.3601000      0.2610000    
 C    2.094800      -2.761000      5.9400000E-02
 C    2.806400      -1.613200      0.4104000    
 C   0.9535000       2.108600     -6.3699998E-02
 C    2.932400      0.8681000      0.6221000    
 C    2.203400       2.135300      0.4219000    
 C   0.1591000       3.356100     -0.2904000    
 C   0.3676000       3.911000      -1.687300    
 H   -1.125500     -0.8748000       1.534800    
 H   -2.568200      -1.797700       1.121400    
 H   -3.862500      -1.204500     -0.9806000    
 H   -3.252400      0.1159000      -1.985000    
 H   -2.391400       1.147700       1.938700    
 H   -3.015700     -0.1807000       2.915400    
 H   -5.204500      0.8222000     -0.6246000    
 H   -3.762500       1.774900     -0.2778000    
 H   -4.899300     -0.5138000       1.398100    
 H   -4.835000       1.192200       1.841100    
 H   -1.116400     -0.9549000      -2.157600    
 H   -1.686900      -2.279800      -1.153300    
 H    2.566800      -3.732800      0.1784000    
 H    3.817200      -1.714100      0.7953000    
 H    2.708000       3.060200      0.6759000    
 H  -0.9063000       3.152900     -0.1271000    
 H   0.4379000       4.121600      0.4444000    
 H   0.6892000      -4.562000     -0.6025000    
 H  -0.2309000       4.816900      -1.827100    
 H   6.4900003E-02   3.186500      -2.451100    
 H    1.417100       4.171200      -1.861500    


%chk=000049495-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049495

0 1
O 0.600872 1.256571 -0.550782
O -0.104542 -3.486185 -0.456045
O 4.411201 0.924130 1.139834
N -2.130424 -0.370351 -0.088972
C -2.489922 -1.374135 0.944664
C -3.333135 0.181228 -0.761440
C -3.411634 -0.756677 2.015953
C -4.282693 0.843426 0.257323
C -4.679817 -0.156106 1.367768
C -1.148370 -0.893345 -1.081479
C 0.230425 -1.107966 -0.481283
C 1.094126 -0.017180 -0.208735
C 0.735362 -2.394658 -0.178290
C 2.388656 -0.165767 0.358120
C 2.029780 -2.586376 0.385268
C 2.840314 -1.477284 0.652548
C 1.382932 2.392925 -0.297326
C 3.244384 1.019722 0.629881
C 2.633909 2.303093 0.262719
C 0.668281 3.648238 -0.723273
C 0.431499 3.718878 -2.255199
H -1.558729 -1.743488 1.410520
H -3.000794 -2.260747 0.481791
H -3.895293 -0.619091 -1.315867
H -3.000919 0.927286 -1.508687
H -2.855744 0.038170 2.549934
H -3.681706 -1.533688 2.757209
H -5.180457 1.221507 -0.269322
H -3.766821 1.711914 0.711094
H -5.288861 -0.972905 0.926699
H -5.309233 0.340904 2.130267
H -1.067552 -0.136211 -1.883163
H -1.493985 -1.847338 -1.543501
H 2.384908 -3.600118 0.610347
H 3.838633 -1.582316 1.089118
H 3.208830 3.214296 0.446289
H -0.308829 3.691247 -0.203684
H 1.261052 4.517332 -0.388741
H 0.338439 -4.338343 -0.219330
H -0.107937 4.646655 -2.515507
H -0.171896 2.860152 -2.596271
H 1.389192 3.709902 -2.805148


